USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -45:sc= 1.15 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -26:sc= 0.0982 USER MOD Single : A 24 ASN : amide:sc= -7.24! C(o=-7.2!,f=-24!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.39 K(o=-1.4,f=-3.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0587 USER MOD Single : A 35 TYR OH : rot 162:sc= -4.63! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.54! C(o=-2.5!,f=-5.7!) USER MOD Single : A 44 ASN : amide:sc= -7.49! C(o=-7.5!,f=-19!) USER MOD Single : A 46 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.341) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 147:sc= -1.99 (180deg=-5.09!) USER MOD Single : A 54 THR OG1 : rot 108:sc= 0.541 USER MOD ----------------------------------------------------------------- ATOM 53 N PHE A 4 6.122 -7.879 3.296 1.00 0.00 N ATOM 54 CA PHE A 4 4.831 -7.280 2.843 1.00 0.00 C ATOM 55 C PHE A 4 5.080 -5.953 2.130 1.00 0.00 C ATOM 56 O PHE A 4 4.223 -5.436 1.441 1.00 0.00 O ATOM 57 CB PHE A 4 3.980 -7.090 4.103 1.00 0.00 C ATOM 58 CG PHE A 4 4.479 -5.918 4.916 1.00 0.00 C ATOM 59 CD1 PHE A 4 4.288 -4.602 4.466 1.00 0.00 C ATOM 60 CD2 PHE A 4 5.122 -6.150 6.139 1.00 0.00 C ATOM 61 CE1 PHE A 4 4.743 -3.529 5.237 1.00 0.00 C ATOM 62 CE2 PHE A 4 5.574 -5.071 6.908 1.00 0.00 C ATOM 63 CZ PHE A 4 5.384 -3.761 6.454 1.00 0.00 C ATOM 0 HA PHE A 4 4.318 -7.923 2.128 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.939 -6.927 3.823 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.010 -7.997 4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.790 -4.419 3.525 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.269 -7.161 6.489 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.598 -2.517 4.889 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.069 -5.250 7.851 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.734 -2.929 7.047 1.00 0.00 H new ATOM 73 N CYS A 5 6.249 -5.402 2.277 1.00 0.00 N ATOM 74 CA CYS A 5 6.550 -4.115 1.597 1.00 0.00 C ATOM 75 C CYS A 5 6.952 -4.383 0.147 1.00 0.00 C ATOM 76 O CYS A 5 6.741 -3.568 -0.728 1.00 0.00 O ATOM 77 CB CYS A 5 7.718 -3.515 2.378 1.00 0.00 C ATOM 78 SG CYS A 5 7.080 -2.491 3.724 1.00 0.00 S ATOM 0 H CYS A 5 7.009 -5.787 2.838 1.00 0.00 H new ATOM 0 HA CYS A 5 5.693 -3.442 1.576 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.348 -4.309 2.778 1.00 0.00 H new ATOM 0 HB3 CYS A 5 8.343 -2.916 1.716 1.00 0.00 H new ATOM 83 N LEU A 6 7.522 -5.527 -0.113 1.00 0.00 N ATOM 84 CA LEU A 6 7.937 -5.855 -1.506 1.00 0.00 C ATOM 85 C LEU A 6 6.736 -6.372 -2.293 1.00 0.00 C ATOM 86 O LEU A 6 6.726 -6.370 -3.508 1.00 0.00 O ATOM 87 CB LEU A 6 9.000 -6.946 -1.361 1.00 0.00 C ATOM 88 CG LEU A 6 10.051 -6.505 -0.341 1.00 0.00 C ATOM 89 CD1 LEU A 6 10.839 -7.723 0.142 1.00 0.00 C ATOM 90 CD2 LEU A 6 11.011 -5.509 -0.996 1.00 0.00 C ATOM 0 H LEU A 6 7.719 -6.250 0.580 1.00 0.00 H new ATOM 0 HA LEU A 6 8.324 -4.988 -2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.537 -7.879 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.472 -7.139 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 6 9.555 -6.032 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.588 -7.407 0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.158 -8.435 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.334 -8.196 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.760 -5.194 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.505 -5.983 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.453 -4.639 -1.341 1.00 0.00 H new ATOM 102 N GLU A 7 5.720 -6.808 -1.606 1.00 0.00 N ATOM 103 CA GLU A 7 4.510 -7.320 -2.308 1.00 0.00 C ATOM 104 C GLU A 7 3.718 -6.150 -2.898 1.00 0.00 C ATOM 105 O GLU A 7 3.853 -5.025 -2.458 1.00 0.00 O ATOM 106 CB GLU A 7 3.696 -8.033 -1.227 1.00 0.00 C ATOM 107 CG GLU A 7 3.910 -9.545 -1.338 1.00 0.00 C ATOM 108 CD GLU A 7 3.866 -10.173 0.056 1.00 0.00 C ATOM 109 OE1 GLU A 7 4.894 -10.184 0.712 1.00 0.00 O ATOM 110 OE2 GLU A 7 2.803 -10.631 0.445 1.00 0.00 O ATOM 0 H GLU A 7 5.674 -6.833 -0.587 1.00 0.00 H new ATOM 0 HA GLU A 7 4.757 -7.988 -3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.999 -7.684 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.638 -7.796 -1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.140 -9.986 -1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.870 -9.753 -1.811 1.00 0.00 H new ATOM 117 N PRO A 8 2.914 -6.455 -3.879 1.00 0.00 N ATOM 118 CA PRO A 8 2.091 -5.411 -4.538 1.00 0.00 C ATOM 119 C PRO A 8 0.966 -4.959 -3.602 1.00 0.00 C ATOM 120 O PRO A 8 0.791 -5.508 -2.532 1.00 0.00 O ATOM 121 CB PRO A 8 1.534 -6.120 -5.769 1.00 0.00 C ATOM 122 CG PRO A 8 1.551 -7.574 -5.420 1.00 0.00 C ATOM 123 CD PRO A 8 2.695 -7.783 -4.462 1.00 0.00 C ATOM 0 HA PRO A 8 2.652 -4.512 -4.794 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.523 -5.781 -5.996 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.144 -5.919 -6.650 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.607 -7.872 -4.964 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.680 -8.184 -6.314 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.446 -8.519 -3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.585 -8.146 -4.976 1.00 0.00 H new ATOM 131 N PRO A 9 0.240 -3.965 -4.038 1.00 0.00 N ATOM 132 CA PRO A 9 -0.879 -3.428 -3.226 1.00 0.00 C ATOM 133 C PRO A 9 -2.047 -4.421 -3.199 1.00 0.00 C ATOM 134 O PRO A 9 -2.060 -5.400 -3.917 1.00 0.00 O ATOM 135 CB PRO A 9 -1.255 -2.135 -3.944 1.00 0.00 C ATOM 136 CG PRO A 9 -0.788 -2.317 -5.353 1.00 0.00 C ATOM 137 CD PRO A 9 0.389 -3.257 -5.315 1.00 0.00 C ATOM 0 HA PRO A 9 -0.614 -3.259 -2.182 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.330 -1.962 -3.905 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.776 -1.273 -3.479 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.586 -2.725 -5.973 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.502 -1.360 -5.790 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.375 -3.948 -6.158 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.334 -2.715 -5.363 1.00 0.00 H new ATOM 145 N TYR A 10 -3.020 -4.182 -2.360 1.00 0.00 N ATOM 146 CA TYR A 10 -4.179 -5.120 -2.267 1.00 0.00 C ATOM 147 C TYR A 10 -5.499 -4.364 -2.378 1.00 0.00 C ATOM 148 O TYR A 10 -6.038 -3.887 -1.400 1.00 0.00 O ATOM 149 CB TYR A 10 -4.041 -5.757 -0.883 1.00 0.00 C ATOM 150 CG TYR A 10 -5.043 -6.876 -0.736 1.00 0.00 C ATOM 151 CD1 TYR A 10 -4.862 -8.076 -1.432 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.153 -6.710 0.099 1.00 0.00 C ATOM 153 CE1 TYR A 10 -5.794 -9.113 -1.292 1.00 0.00 C ATOM 154 CE2 TYR A 10 -7.084 -7.746 0.239 1.00 0.00 C ATOM 155 CZ TYR A 10 -6.905 -8.948 -0.457 1.00 0.00 C ATOM 156 OH TYR A 10 -7.824 -9.968 -0.319 1.00 0.00 O ATOM 0 H TYR A 10 -3.063 -3.378 -1.734 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.180 -5.857 -3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.030 -6.141 -0.748 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.203 -5.007 -0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.005 -8.203 -2.077 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.292 -5.783 0.635 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.655 -10.040 -1.829 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.941 -7.618 0.884 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.532 -9.689 0.298 1.00 0.00 H new ATOM 166 N THR A 11 -6.039 -4.279 -3.560 1.00 0.00 N ATOM 167 CA THR A 11 -7.339 -3.583 -3.725 1.00 0.00 C ATOM 168 C THR A 11 -8.354 -4.247 -2.796 1.00 0.00 C ATOM 169 O THR A 11 -9.341 -3.658 -2.408 1.00 0.00 O ATOM 170 CB THR A 11 -7.723 -3.783 -5.197 1.00 0.00 C ATOM 171 OG1 THR A 11 -7.087 -2.787 -5.986 1.00 0.00 O ATOM 172 CG2 THR A 11 -9.240 -3.666 -5.363 1.00 0.00 C ATOM 0 H THR A 11 -5.636 -4.661 -4.416 1.00 0.00 H new ATOM 0 HA THR A 11 -7.300 -2.522 -3.479 1.00 0.00 H new ATOM 0 HB THR A 11 -7.403 -4.774 -5.520 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.176 -1.916 -5.546 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.503 -3.809 -6.411 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.732 -4.427 -4.758 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.566 -2.678 -5.039 1.00 0.00 H new ATOM 180 N GLY A 12 -8.103 -5.477 -2.440 1.00 0.00 N ATOM 181 CA GLY A 12 -9.041 -6.199 -1.531 1.00 0.00 C ATOM 182 C GLY A 12 -10.437 -6.250 -2.158 1.00 0.00 C ATOM 183 O GLY A 12 -10.626 -5.869 -3.295 1.00 0.00 O ATOM 0 H GLY A 12 -7.289 -6.014 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.678 -7.210 -1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.085 -5.696 -0.565 1.00 0.00 H new ATOM 187 N PRO A 13 -11.371 -6.731 -1.380 1.00 0.00 N ATOM 188 CA PRO A 13 -12.775 -6.846 -1.849 1.00 0.00 C ATOM 189 C PRO A 13 -13.436 -5.464 -1.906 1.00 0.00 C ATOM 190 O PRO A 13 -12.769 -4.457 -2.033 1.00 0.00 O ATOM 191 CB PRO A 13 -13.431 -7.730 -0.787 1.00 0.00 C ATOM 192 CG PRO A 13 -12.603 -7.541 0.444 1.00 0.00 C ATOM 193 CD PRO A 13 -11.205 -7.205 -0.003 1.00 0.00 C ATOM 0 HA PRO A 13 -12.863 -7.260 -2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.466 -7.436 -0.614 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.444 -8.775 -1.097 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.011 -6.742 1.062 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.605 -8.446 1.051 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.758 -6.439 0.631 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.552 -8.077 0.042 1.00 0.00 H new ATOM 201 N CYS A 14 -14.740 -5.407 -1.817 1.00 0.00 N ATOM 202 CA CYS A 14 -15.438 -4.089 -1.868 1.00 0.00 C ATOM 203 C CYS A 14 -15.205 -3.418 -3.224 1.00 0.00 C ATOM 204 O CYS A 14 -14.446 -3.897 -4.043 1.00 0.00 O ATOM 205 CB CYS A 14 -14.824 -3.262 -0.736 1.00 0.00 C ATOM 206 SG CYS A 14 -14.828 -4.234 0.790 1.00 0.00 S ATOM 0 H CYS A 14 -15.351 -6.217 -1.711 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.517 -4.190 -1.750 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.805 -2.973 -0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -15.390 -2.341 -0.595 1.00 0.00 H new ATOM 211 N LYS A 15 -15.861 -2.318 -3.472 1.00 0.00 N ATOM 212 CA LYS A 15 -15.683 -1.622 -4.779 1.00 0.00 C ATOM 213 C LYS A 15 -15.480 -0.122 -4.561 1.00 0.00 C ATOM 214 O LYS A 15 -15.791 0.686 -5.413 1.00 0.00 O ATOM 215 CB LYS A 15 -16.984 -1.880 -5.540 1.00 0.00 C ATOM 216 CG LYS A 15 -16.810 -3.096 -6.451 1.00 0.00 C ATOM 217 CD LYS A 15 -18.184 -3.658 -6.820 1.00 0.00 C ATOM 218 CE LYS A 15 -18.503 -4.855 -5.922 1.00 0.00 C ATOM 219 NZ LYS A 15 -19.950 -4.713 -5.594 1.00 0.00 N ATOM 0 H LYS A 15 -16.512 -1.871 -2.827 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.810 -1.982 -5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.800 -2.052 -4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.251 -1.004 -6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.267 -2.813 -7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.217 -3.859 -5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -18.947 -2.888 -6.703 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.195 -3.962 -7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.304 -5.797 -6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.891 -4.847 -5.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -20.245 -5.498 -4.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.107 -3.810 -5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -20.508 -4.731 -6.471 1.00 0.00 H new ATOM 233 N ALA A 16 -14.958 0.259 -3.428 1.00 0.00 N ATOM 234 CA ALA A 16 -14.737 1.709 -3.163 1.00 0.00 C ATOM 235 C ALA A 16 -13.678 2.263 -4.119 1.00 0.00 C ATOM 236 O ALA A 16 -13.299 1.623 -5.078 1.00 0.00 O ATOM 237 CB ALA A 16 -14.243 1.780 -1.717 1.00 0.00 C ATOM 0 H ALA A 16 -14.675 -0.369 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.642 2.298 -3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.057 2.819 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.000 1.362 -1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.319 1.209 -1.620 1.00 0.00 H new ATOM 243 N ARG A 17 -13.199 3.449 -3.864 1.00 0.00 N ATOM 244 CA ARG A 17 -12.165 4.044 -4.756 1.00 0.00 C ATOM 245 C ARG A 17 -11.265 4.992 -3.961 1.00 0.00 C ATOM 246 O ARG A 17 -11.357 6.198 -4.080 1.00 0.00 O ATOM 247 CB ARG A 17 -12.952 4.817 -5.815 1.00 0.00 C ATOM 248 CG ARG A 17 -11.976 5.506 -6.769 1.00 0.00 C ATOM 249 CD ARG A 17 -12.755 6.175 -7.902 1.00 0.00 C ATOM 250 NE ARG A 17 -13.098 5.069 -8.841 1.00 0.00 N ATOM 251 CZ ARG A 17 -13.735 5.328 -9.950 1.00 0.00 C ATOM 252 NH1 ARG A 17 -14.209 6.525 -10.168 1.00 0.00 N ATOM 253 NH2 ARG A 17 -13.900 4.391 -10.844 1.00 0.00 N ATOM 0 H ARG A 17 -13.479 4.032 -3.076 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.518 3.287 -5.200 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.602 4.139 -6.369 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.595 5.557 -5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.388 6.249 -6.230 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.274 4.778 -7.176 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.653 6.667 -7.527 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.155 6.940 -8.395 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.835 4.110 -8.616 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.081 7.259 -9.471 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.707 6.726 -11.035 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.531 3.455 -10.676 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.398 4.595 -11.710 1.00 0.00 H new ATOM 267 N ILE A 18 -10.394 4.457 -3.149 1.00 0.00 N ATOM 268 CA ILE A 18 -9.490 5.328 -2.344 1.00 0.00 C ATOM 269 C ILE A 18 -8.051 5.214 -2.852 1.00 0.00 C ATOM 270 O ILE A 18 -7.621 4.171 -3.304 1.00 0.00 O ATOM 271 CB ILE A 18 -9.595 4.791 -0.917 1.00 0.00 C ATOM 272 CG1 ILE A 18 -11.052 4.862 -0.452 1.00 0.00 C ATOM 273 CG2 ILE A 18 -8.725 5.637 0.015 1.00 0.00 C ATOM 274 CD1 ILE A 18 -11.196 4.132 0.885 1.00 0.00 C ATOM 0 H ILE A 18 -10.269 3.455 -3.008 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.767 6.380 -2.409 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.253 3.756 -0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.361 5.902 -0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.706 4.410 -1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.801 5.253 1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.687 5.590 -0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.066 6.672 -0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.233 4.182 1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.904 3.089 0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.554 4.604 1.628 1.00 0.00 H new ATOM 286 N ILE A 19 -7.302 6.280 -2.780 1.00 0.00 N ATOM 287 CA ILE A 19 -5.890 6.232 -3.256 1.00 0.00 C ATOM 288 C ILE A 19 -4.955 5.883 -2.095 1.00 0.00 C ATOM 289 O ILE A 19 -4.357 6.747 -1.485 1.00 0.00 O ATOM 290 CB ILE A 19 -5.601 7.639 -3.780 1.00 0.00 C ATOM 291 CG1 ILE A 19 -6.582 7.975 -4.905 1.00 0.00 C ATOM 292 CG2 ILE A 19 -4.171 7.703 -4.317 1.00 0.00 C ATOM 293 CD1 ILE A 19 -6.351 7.027 -6.084 1.00 0.00 C ATOM 0 H ILE A 19 -7.606 7.182 -2.413 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.736 5.474 -4.024 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.716 8.358 -2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.607 7.884 -4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.446 9.009 -5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.967 8.707 -4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.471 7.464 -3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.054 6.984 -5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.050 7.266 -6.886 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.330 7.140 -6.447 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.509 5.998 -5.760 1.00 0.00 H new ATOM 305 N ARG A 20 -4.827 4.621 -1.786 1.00 0.00 N ATOM 306 CA ARG A 20 -3.930 4.216 -0.667 1.00 0.00 C ATOM 307 C ARG A 20 -2.479 4.161 -1.155 1.00 0.00 C ATOM 308 O ARG A 20 -2.211 4.245 -2.336 1.00 0.00 O ATOM 309 CB ARG A 20 -4.422 2.833 -0.248 1.00 0.00 C ATOM 310 CG ARG A 20 -5.660 2.984 0.640 1.00 0.00 C ATOM 311 CD ARG A 20 -5.256 3.612 1.975 1.00 0.00 C ATOM 312 NE ARG A 20 -6.374 4.533 2.324 1.00 0.00 N ATOM 313 CZ ARG A 20 -7.016 4.380 3.451 1.00 0.00 C ATOM 314 NH1 ARG A 20 -7.221 3.182 3.926 1.00 0.00 N ATOM 315 NH2 ARG A 20 -7.450 5.423 4.104 1.00 0.00 N ATOM 0 H ARG A 20 -5.304 3.854 -2.260 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.954 4.918 0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.663 2.238 -1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.637 2.303 0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.403 3.607 0.143 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.121 2.011 0.808 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.118 2.851 2.743 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.313 4.152 1.888 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.638 5.282 1.684 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.880 2.366 3.417 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.722 3.061 4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.288 6.360 3.734 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.951 5.302 4.984 1.00 0.00 H new ATOM 329 N TYR A 21 -1.541 4.033 -0.257 1.00 0.00 N ATOM 330 CA TYR A 21 -0.112 3.993 -0.679 1.00 0.00 C ATOM 331 C TYR A 21 0.507 2.616 -0.432 1.00 0.00 C ATOM 332 O TYR A 21 0.149 1.914 0.492 1.00 0.00 O ATOM 333 CB TYR A 21 0.589 5.032 0.195 1.00 0.00 C ATOM 334 CG TYR A 21 0.341 6.414 -0.350 1.00 0.00 C ATOM 335 CD1 TYR A 21 1.193 6.945 -1.326 1.00 0.00 C ATOM 336 CD2 TYR A 21 -0.737 7.168 0.125 1.00 0.00 C ATOM 337 CE1 TYR A 21 0.966 8.233 -1.827 1.00 0.00 C ATOM 338 CE2 TYR A 21 -0.965 8.455 -0.376 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.114 8.988 -1.351 1.00 0.00 C ATOM 340 OH TYR A 21 -0.339 10.257 -1.845 1.00 0.00 O ATOM 0 H TYR A 21 -1.701 3.955 0.747 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.012 4.196 -1.745 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.222 4.965 1.219 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.660 4.831 0.226 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.025 6.362 -1.692 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.393 6.757 0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.623 8.644 -2.579 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.798 9.037 -0.010 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.128 10.642 -1.410 1.00 0.00 H new ATOM 350 N PHE A 22 1.459 2.249 -1.245 1.00 0.00 N ATOM 351 CA PHE A 22 2.145 0.938 -1.069 1.00 0.00 C ATOM 352 C PHE A 22 3.585 1.050 -1.576 1.00 0.00 C ATOM 353 O PHE A 22 3.903 1.899 -2.382 1.00 0.00 O ATOM 354 CB PHE A 22 1.334 -0.059 -1.900 1.00 0.00 C ATOM 355 CG PHE A 22 1.720 0.034 -3.360 1.00 0.00 C ATOM 356 CD1 PHE A 22 1.058 0.934 -4.205 1.00 0.00 C ATOM 357 CD2 PHE A 22 2.737 -0.784 -3.865 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.417 1.015 -5.557 1.00 0.00 C ATOM 359 CE2 PHE A 22 3.095 -0.703 -5.217 1.00 0.00 C ATOM 360 CZ PHE A 22 2.436 0.197 -6.063 1.00 0.00 C ATOM 0 H PHE A 22 1.794 2.807 -2.031 1.00 0.00 H new ATOM 0 HA PHE A 22 2.197 0.621 -0.027 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.507 -1.072 -1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.269 0.144 -1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.272 1.564 -3.815 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.246 -1.478 -3.212 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.908 1.709 -6.210 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.879 -1.335 -5.607 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.713 0.261 -7.105 1.00 0.00 H new ATOM 370 N TYR A 23 4.457 0.208 -1.108 1.00 0.00 N ATOM 371 CA TYR A 23 5.882 0.285 -1.561 1.00 0.00 C ATOM 372 C TYR A 23 6.064 -0.460 -2.887 1.00 0.00 C ATOM 373 O TYR A 23 5.894 -1.660 -2.963 1.00 0.00 O ATOM 374 CB TYR A 23 6.696 -0.392 -0.456 1.00 0.00 C ATOM 375 CG TYR A 23 8.169 -0.302 -0.792 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.778 0.950 -0.947 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.925 -1.470 -0.956 1.00 0.00 C ATOM 378 CE1 TYR A 23 10.140 1.032 -1.264 1.00 0.00 C ATOM 379 CE2 TYR A 23 10.285 -1.388 -1.273 1.00 0.00 C ATOM 380 CZ TYR A 23 10.893 -0.137 -1.426 1.00 0.00 C ATOM 381 OH TYR A 23 12.236 -0.056 -1.739 1.00 0.00 O ATOM 0 H TYR A 23 4.253 -0.530 -0.434 1.00 0.00 H new ATOM 0 HA TYR A 23 6.198 1.315 -1.728 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.500 0.089 0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.397 -1.435 -0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.197 1.852 -0.822 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.457 -2.436 -0.837 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.609 1.997 -1.383 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.866 -2.290 -1.400 1.00 0.00 H new ATOM 0 HH TYR A 23 12.412 0.786 -2.209 1.00 0.00 H new ATOM 391 N ASN A 24 6.422 0.238 -3.932 1.00 0.00 N ATOM 392 CA ASN A 24 6.625 -0.438 -5.246 1.00 0.00 C ATOM 393 C ASN A 24 8.085 -0.866 -5.390 1.00 0.00 C ATOM 394 O ASN A 24 8.904 -0.137 -5.910 1.00 0.00 O ATOM 395 CB ASN A 24 6.278 0.615 -6.298 1.00 0.00 C ATOM 396 CG ASN A 24 6.508 0.034 -7.691 1.00 0.00 C ATOM 397 OD1 ASN A 24 7.429 -0.728 -7.896 1.00 0.00 O ATOM 398 ND2 ASN A 24 5.701 0.359 -8.665 1.00 0.00 N ATOM 0 H ASN A 24 6.582 1.245 -3.932 1.00 0.00 H new ATOM 0 HA ASN A 24 6.011 -1.332 -5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.239 0.926 -6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.893 1.503 -6.156 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.845 -0.028 -9.598 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.926 1.000 -8.493 1.00 0.00 H new ATOM 405 N ALA A 25 8.422 -2.042 -4.935 1.00 0.00 N ATOM 406 CA ALA A 25 9.836 -2.499 -5.055 1.00 0.00 C ATOM 407 C ALA A 25 10.348 -2.227 -6.469 1.00 0.00 C ATOM 408 O ALA A 25 11.487 -1.851 -6.665 1.00 0.00 O ATOM 409 CB ALA A 25 9.803 -4.000 -4.769 1.00 0.00 C ATOM 0 H ALA A 25 7.785 -2.702 -4.489 1.00 0.00 H new ATOM 0 HA ALA A 25 10.501 -1.978 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.812 -4.406 -4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.413 -4.171 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.161 -4.495 -5.497 1.00 0.00 H new ATOM 415 N LYS A 26 9.513 -2.403 -7.457 1.00 0.00 N ATOM 416 CA LYS A 26 9.957 -2.140 -8.853 1.00 0.00 C ATOM 417 C LYS A 26 10.272 -0.651 -9.015 1.00 0.00 C ATOM 418 O LYS A 26 11.090 -0.268 -9.826 1.00 0.00 O ATOM 419 CB LYS A 26 8.776 -2.558 -9.737 1.00 0.00 C ATOM 420 CG LYS A 26 8.956 -1.997 -11.152 1.00 0.00 C ATOM 421 CD LYS A 26 9.948 -2.866 -11.925 1.00 0.00 C ATOM 422 CE LYS A 26 9.466 -3.027 -13.369 1.00 0.00 C ATOM 423 NZ LYS A 26 9.905 -1.784 -14.062 1.00 0.00 N ATOM 0 H LYS A 26 8.547 -2.716 -7.358 1.00 0.00 H new ATOM 0 HA LYS A 26 10.860 -2.688 -9.121 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.706 -3.645 -9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.843 -2.193 -9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.997 -1.974 -11.670 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.317 -0.970 -11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.938 -2.409 -11.909 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.040 -3.843 -11.450 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.900 -3.912 -13.834 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.383 -3.142 -13.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.611 -1.820 -15.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.471 -0.958 -13.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.941 -1.705 -14.010 1.00 0.00 H new ATOM 437 N ALA A 27 9.633 0.193 -8.247 1.00 0.00 N ATOM 438 CA ALA A 27 9.911 1.653 -8.365 1.00 0.00 C ATOM 439 C ALA A 27 11.000 2.063 -7.368 1.00 0.00 C ATOM 440 O ALA A 27 11.683 3.052 -7.551 1.00 0.00 O ATOM 441 CB ALA A 27 8.588 2.342 -8.029 1.00 0.00 C ATOM 0 H ALA A 27 8.936 -0.064 -7.548 1.00 0.00 H new ATOM 0 HA ALA A 27 10.268 1.926 -9.358 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.714 3.423 -8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.822 2.022 -8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.284 2.073 -7.017 1.00 0.00 H new ATOM 447 N GLY A 28 11.168 1.309 -6.316 1.00 0.00 N ATOM 448 CA GLY A 28 12.214 1.652 -5.309 1.00 0.00 C ATOM 449 C GLY A 28 11.608 2.542 -4.222 1.00 0.00 C ATOM 450 O GLY A 28 12.210 2.777 -3.193 1.00 0.00 O ATOM 0 H GLY A 28 10.626 0.470 -6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.618 0.742 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.044 2.166 -5.793 1.00 0.00 H new ATOM 454 N LEU A 29 10.420 3.035 -4.439 1.00 0.00 N ATOM 455 CA LEU A 29 9.774 3.903 -3.417 1.00 0.00 C ATOM 456 C LEU A 29 8.334 3.445 -3.195 1.00 0.00 C ATOM 457 O LEU A 29 8.039 2.266 -3.209 1.00 0.00 O ATOM 458 CB LEU A 29 9.810 5.314 -4.006 1.00 0.00 C ATOM 459 CG LEU A 29 11.200 5.590 -4.584 1.00 0.00 C ATOM 460 CD1 LEU A 29 11.163 5.414 -6.102 1.00 0.00 C ATOM 461 CD2 LEU A 29 11.616 7.024 -4.247 1.00 0.00 C ATOM 0 H LEU A 29 9.868 2.873 -5.282 1.00 0.00 H new ATOM 0 HA LEU A 29 10.279 3.862 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.054 5.414 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.573 6.047 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 29 11.919 4.892 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.152 5.610 -6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.865 4.394 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.445 6.113 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.606 7.222 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.898 7.722 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.641 7.151 -3.165 1.00 0.00 H new ATOM 473 N CYS A 30 7.436 4.367 -2.994 1.00 0.00 N ATOM 474 CA CYS A 30 6.012 3.985 -2.772 1.00 0.00 C ATOM 475 C CYS A 30 5.120 4.594 -3.853 1.00 0.00 C ATOM 476 O CYS A 30 5.439 5.608 -4.442 1.00 0.00 O ATOM 477 CB CYS A 30 5.647 4.559 -1.402 1.00 0.00 C ATOM 478 SG CYS A 30 6.453 3.593 -0.102 1.00 0.00 S ATOM 0 H CYS A 30 7.625 5.369 -2.974 1.00 0.00 H new ATOM 0 HA CYS A 30 5.873 2.905 -2.813 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.958 5.602 -1.339 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.566 4.540 -1.265 1.00 0.00 H new ATOM 483 N GLN A 31 3.998 3.984 -4.110 1.00 0.00 N ATOM 484 CA GLN A 31 3.073 4.524 -5.142 1.00 0.00 C ATOM 485 C GLN A 31 1.632 4.419 -4.641 1.00 0.00 C ATOM 486 O GLN A 31 1.367 3.836 -3.609 1.00 0.00 O ATOM 487 CB GLN A 31 3.290 3.641 -6.371 1.00 0.00 C ATOM 488 CG GLN A 31 4.766 3.691 -6.774 1.00 0.00 C ATOM 489 CD GLN A 31 4.879 3.985 -8.270 1.00 0.00 C ATOM 490 OE1 GLN A 31 3.884 4.084 -8.959 1.00 0.00 O ATOM 491 NE2 GLN A 31 6.061 4.135 -8.805 1.00 0.00 N ATOM 0 H GLN A 31 3.681 3.132 -3.648 1.00 0.00 H new ATOM 0 HA GLN A 31 3.259 5.574 -5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.995 2.615 -6.153 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.664 3.984 -7.195 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.284 4.461 -6.202 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.249 2.742 -6.542 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.897 4.052 -8.226 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.148 4.335 -9.801 1.00 0.00 H new ATOM 500 N THR A 32 0.697 4.985 -5.351 1.00 0.00 N ATOM 501 CA THR A 32 -0.718 4.914 -4.894 1.00 0.00 C ATOM 502 C THR A 32 -1.463 3.799 -5.629 1.00 0.00 C ATOM 503 O THR A 32 -1.233 3.546 -6.794 1.00 0.00 O ATOM 504 CB THR A 32 -1.316 6.279 -5.243 1.00 0.00 C ATOM 505 OG1 THR A 32 -0.901 6.657 -6.548 1.00 0.00 O ATOM 506 CG2 THR A 32 -0.839 7.322 -4.231 1.00 0.00 C ATOM 0 H THR A 32 0.850 5.491 -6.223 1.00 0.00 H new ATOM 0 HA THR A 32 -0.794 4.693 -3.829 1.00 0.00 H new ATOM 0 HB THR A 32 -2.404 6.218 -5.211 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.285 7.530 -6.773 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.266 8.293 -4.481 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.160 7.031 -3.231 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.249 7.386 -4.259 1.00 0.00 H new ATOM 514 N PHE A 33 -2.364 3.134 -4.955 1.00 0.00 N ATOM 515 CA PHE A 33 -3.137 2.042 -5.615 1.00 0.00 C ATOM 516 C PHE A 33 -4.609 2.122 -5.208 1.00 0.00 C ATOM 517 O PHE A 33 -4.954 2.686 -4.189 1.00 0.00 O ATOM 518 CB PHE A 33 -2.498 0.731 -5.145 1.00 0.00 C ATOM 519 CG PHE A 33 -2.936 0.393 -3.735 1.00 0.00 C ATOM 520 CD1 PHE A 33 -2.242 0.916 -2.632 1.00 0.00 C ATOM 521 CD2 PHE A 33 -4.029 -0.458 -3.530 1.00 0.00 C ATOM 522 CE1 PHE A 33 -2.645 0.591 -1.334 1.00 0.00 C ATOM 523 CE2 PHE A 33 -4.430 -0.785 -2.229 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.740 -0.259 -1.131 1.00 0.00 C ATOM 0 H PHE A 33 -2.598 3.300 -3.976 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.108 2.118 -6.702 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.777 -0.077 -5.821 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.412 0.817 -5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.396 1.570 -2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.563 -0.863 -4.377 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.112 0.996 -0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.272 -1.443 -2.073 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.052 -0.508 -0.127 1.00 0.00 H new ATOM 534 N VAL A 34 -5.479 1.572 -6.007 1.00 0.00 N ATOM 535 CA VAL A 34 -6.935 1.626 -5.680 1.00 0.00 C ATOM 536 C VAL A 34 -7.258 0.653 -4.545 1.00 0.00 C ATOM 537 O VAL A 34 -7.373 -0.539 -4.745 1.00 0.00 O ATOM 538 CB VAL A 34 -7.652 1.210 -6.966 1.00 0.00 C ATOM 539 CG1 VAL A 34 -9.164 1.357 -6.779 1.00 0.00 C ATOM 540 CG2 VAL A 34 -7.194 2.107 -8.118 1.00 0.00 C ATOM 0 H VAL A 34 -5.247 1.087 -6.874 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.245 2.617 -5.347 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.413 0.171 -7.194 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.674 1.061 -7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.493 0.720 -5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.403 2.396 -6.550 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.704 1.811 -9.035 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.434 3.145 -7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.117 2.004 -8.253 1.00 0.00 H new ATOM 550 N TYR A 35 -7.401 1.160 -3.352 1.00 0.00 N ATOM 551 CA TYR A 35 -7.709 0.278 -2.190 1.00 0.00 C ATOM 552 C TYR A 35 -9.205 -0.057 -2.152 1.00 0.00 C ATOM 553 O TYR A 35 -10.036 0.723 -2.574 1.00 0.00 O ATOM 554 CB TYR A 35 -7.306 1.106 -0.970 1.00 0.00 C ATOM 555 CG TYR A 35 -7.681 0.369 0.289 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.505 -1.016 0.369 1.00 0.00 C ATOM 557 CD2 TYR A 35 -8.210 1.072 1.378 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.856 -1.700 1.538 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.561 0.388 2.548 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.385 -0.998 2.627 1.00 0.00 C ATOM 561 OH TYR A 35 -8.733 -1.673 3.780 1.00 0.00 O ATOM 0 H TYR A 35 -7.317 2.152 -3.130 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.182 -0.675 -2.235 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.233 1.296 -0.986 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.802 2.076 -0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.098 -1.558 -0.472 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.347 2.141 1.316 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.719 -2.769 1.600 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.967 0.930 3.389 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.807 -1.037 4.522 1.00 0.00 H new ATOM 571 N GLY A 36 -9.557 -1.216 -1.654 1.00 0.00 N ATOM 572 CA GLY A 36 -10.998 -1.602 -1.596 1.00 0.00 C ATOM 573 C GLY A 36 -11.644 -1.028 -0.333 1.00 0.00 C ATOM 574 O GLY A 36 -12.825 -1.192 -0.103 1.00 0.00 O ATOM 0 H GLY A 36 -8.908 -1.911 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.518 -1.233 -2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.092 -2.688 -1.601 1.00 0.00 H new ATOM 578 N ALA A 37 -10.880 -0.351 0.486 1.00 0.00 N ATOM 579 CA ALA A 37 -11.446 0.243 1.738 1.00 0.00 C ATOM 580 C ALA A 37 -11.732 -0.845 2.782 1.00 0.00 C ATOM 581 O ALA A 37 -12.306 -0.581 3.819 1.00 0.00 O ATOM 582 CB ALA A 37 -12.747 0.930 1.313 1.00 0.00 C ATOM 0 H ALA A 37 -9.884 -0.183 0.342 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.747 0.941 2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.217 1.389 2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.527 1.699 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.424 0.193 0.881 1.00 0.00 H new ATOM 588 N CYS A 38 -11.340 -2.066 2.522 1.00 0.00 N ATOM 589 CA CYS A 38 -11.597 -3.154 3.512 1.00 0.00 C ATOM 590 C CYS A 38 -10.503 -4.224 3.428 1.00 0.00 C ATOM 591 O CYS A 38 -9.668 -4.204 2.547 1.00 0.00 O ATOM 592 CB CYS A 38 -12.950 -3.740 3.111 1.00 0.00 C ATOM 593 SG CYS A 38 -12.894 -4.245 1.374 1.00 0.00 S ATOM 0 H CYS A 38 -10.856 -2.355 1.672 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.597 -2.785 4.537 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.190 -4.595 3.742 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.738 -3.002 3.262 1.00 0.00 H new ATOM 598 N ARG A 39 -10.506 -5.157 4.346 1.00 0.00 N ATOM 599 CA ARG A 39 -9.473 -6.235 4.333 1.00 0.00 C ATOM 600 C ARG A 39 -8.104 -5.667 3.942 1.00 0.00 C ATOM 601 O ARG A 39 -7.407 -6.216 3.111 1.00 0.00 O ATOM 602 CB ARG A 39 -9.959 -7.240 3.288 1.00 0.00 C ATOM 603 CG ARG A 39 -9.710 -8.663 3.792 1.00 0.00 C ATOM 604 CD ARG A 39 -11.020 -9.457 3.759 1.00 0.00 C ATOM 605 NE ARG A 39 -11.291 -9.809 5.182 1.00 0.00 N ATOM 606 CZ ARG A 39 -11.975 -10.884 5.471 1.00 0.00 C ATOM 607 NH1 ARG A 39 -13.203 -11.007 5.051 1.00 0.00 N ATOM 608 NH2 ARG A 39 -11.430 -11.832 6.184 1.00 0.00 N ATOM 0 H ARG A 39 -11.183 -5.218 5.107 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.350 -6.694 5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.021 -7.093 3.093 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.437 -7.081 2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.960 -9.153 3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.315 -8.636 4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.831 -8.863 3.337 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.925 -10.351 3.142 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.942 -9.210 5.930 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.629 -10.264 4.497 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.737 -11.846 5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.470 -11.733 6.515 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.964 -12.671 6.410 1.00 0.00 H new ATOM 622 N ALA A 40 -7.714 -4.574 4.538 1.00 0.00 N ATOM 623 CA ALA A 40 -6.390 -3.970 4.204 1.00 0.00 C ATOM 624 C ALA A 40 -5.255 -4.863 4.718 1.00 0.00 C ATOM 625 O ALA A 40 -5.429 -5.633 5.641 1.00 0.00 O ATOM 626 CB ALA A 40 -6.378 -2.623 4.926 1.00 0.00 C ATOM 0 H ALA A 40 -8.254 -4.072 5.242 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.246 -3.860 3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.434 -2.114 4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.203 -2.009 4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.488 -2.784 5.998 1.00 0.00 H new ATOM 632 N LYS A 41 -4.092 -4.762 4.127 1.00 0.00 N ATOM 633 CA LYS A 41 -2.943 -5.602 4.583 1.00 0.00 C ATOM 634 C LYS A 41 -1.786 -4.706 5.034 1.00 0.00 C ATOM 635 O LYS A 41 -1.963 -3.531 5.285 1.00 0.00 O ATOM 636 CB LYS A 41 -2.534 -6.420 3.357 1.00 0.00 C ATOM 637 CG LYS A 41 -3.779 -7.006 2.689 1.00 0.00 C ATOM 638 CD LYS A 41 -3.418 -8.332 2.016 1.00 0.00 C ATOM 639 CE LYS A 41 -4.577 -9.320 2.172 1.00 0.00 C ATOM 640 NZ LYS A 41 -4.299 -10.036 3.449 1.00 0.00 N ATOM 0 H LYS A 41 -3.888 -4.135 3.349 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.207 -6.239 5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.994 -5.789 2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.857 -7.221 3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.563 -7.163 3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.173 -6.307 1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.206 -8.169 0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.513 -8.744 2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.535 -8.802 2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.622 -10.013 1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.051 -10.732 3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.383 -10.524 3.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.269 -9.351 4.231 1.00 0.00 H new ATOM 654 N ARG A 42 -0.601 -5.247 5.135 1.00 0.00 N ATOM 655 CA ARG A 42 0.560 -4.413 5.563 1.00 0.00 C ATOM 656 C ARG A 42 1.084 -3.596 4.376 1.00 0.00 C ATOM 657 O ARG A 42 1.949 -2.756 4.524 1.00 0.00 O ATOM 658 CB ARG A 42 1.617 -5.407 6.050 1.00 0.00 C ATOM 659 CG ARG A 42 0.953 -6.477 6.919 1.00 0.00 C ATOM 660 CD ARG A 42 2.004 -7.141 7.812 1.00 0.00 C ATOM 661 NE ARG A 42 2.138 -8.527 7.285 1.00 0.00 N ATOM 662 CZ ARG A 42 1.648 -9.531 7.959 1.00 0.00 C ATOM 663 NH1 ARG A 42 2.075 -9.775 9.167 1.00 0.00 N ATOM 664 NH2 ARG A 42 0.731 -10.292 7.425 1.00 0.00 N ATOM 0 H ARG A 42 -0.387 -6.225 4.941 1.00 0.00 H new ATOM 0 HA ARG A 42 0.292 -3.702 6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.113 -5.872 5.198 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.385 -4.886 6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.172 -6.028 7.532 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.473 -7.225 6.288 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.954 -6.608 7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.690 -7.144 8.856 1.00 0.00 H new ATOM 0 HE ARG A 42 2.613 -8.692 6.397 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.792 -9.181 9.584 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.692 -10.560 9.694 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.397 -10.102 6.480 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.349 -11.077 7.953 1.00 0.00 H new ATOM 678 N ASN A 43 0.556 -3.829 3.202 1.00 0.00 N ATOM 679 CA ASN A 43 1.011 -3.056 2.009 1.00 0.00 C ATOM 680 C ASN A 43 -0.104 -2.109 1.553 1.00 0.00 C ATOM 681 O ASN A 43 -0.525 -2.122 0.414 1.00 0.00 O ATOM 682 CB ASN A 43 1.303 -4.105 0.935 1.00 0.00 C ATOM 683 CG ASN A 43 2.274 -3.522 -0.093 1.00 0.00 C ATOM 684 OD1 ASN A 43 1.877 -3.153 -1.181 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.541 -3.424 0.206 1.00 0.00 N ATOM 0 H ASN A 43 -0.170 -4.521 3.019 1.00 0.00 H new ATOM 0 HA ASN A 43 1.889 -2.445 2.218 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.731 -4.998 1.390 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.377 -4.409 0.446 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.197 -3.038 -0.473 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.875 -3.733 1.119 1.00 0.00 H new ATOM 692 N ASN A 44 -0.581 -1.293 2.447 1.00 0.00 N ATOM 693 CA ASN A 44 -1.672 -0.334 2.109 1.00 0.00 C ATOM 694 C ASN A 44 -1.595 0.845 3.083 1.00 0.00 C ATOM 695 O ASN A 44 -2.278 0.881 4.088 1.00 0.00 O ATOM 696 CB ASN A 44 -2.958 -1.143 2.313 1.00 0.00 C ATOM 697 CG ASN A 44 -4.187 -0.240 2.192 1.00 0.00 C ATOM 698 OD1 ASN A 44 -4.070 0.967 2.139 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.372 -0.788 2.138 1.00 0.00 N ATOM 0 H ASN A 44 -0.258 -1.247 3.413 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.614 0.072 1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.013 -1.942 1.573 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.944 -1.617 3.294 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.202 -0.201 2.051 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.467 -1.803 2.183 1.00 0.00 H new ATOM 706 N PHE A 45 -0.738 1.790 2.808 1.00 0.00 N ATOM 707 CA PHE A 45 -0.574 2.950 3.734 1.00 0.00 C ATOM 708 C PHE A 45 -1.446 4.131 3.298 1.00 0.00 C ATOM 709 O PHE A 45 -1.615 4.394 2.125 1.00 0.00 O ATOM 710 CB PHE A 45 0.917 3.301 3.647 1.00 0.00 C ATOM 711 CG PHE A 45 1.735 2.026 3.709 1.00 0.00 C ATOM 712 CD1 PHE A 45 1.959 1.399 4.942 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.252 1.464 2.535 1.00 0.00 C ATOM 714 CE1 PHE A 45 2.702 0.211 5.000 1.00 0.00 C ATOM 715 CE2 PHE A 45 2.993 0.273 2.591 1.00 0.00 C ATOM 716 CZ PHE A 45 3.217 -0.355 3.825 1.00 0.00 C ATOM 0 H PHE A 45 -0.142 1.810 1.980 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.884 2.714 4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.123 3.835 2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.195 3.965 4.465 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.559 1.831 5.848 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.080 1.948 1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.878 -0.269 5.951 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.390 -0.159 1.685 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.785 -1.273 3.870 1.00 0.00 H new ATOM 726 N LYS A 46 -2.003 4.843 4.239 1.00 0.00 N ATOM 727 CA LYS A 46 -2.868 6.006 3.890 1.00 0.00 C ATOM 728 C LYS A 46 -2.017 7.163 3.358 1.00 0.00 C ATOM 729 O LYS A 46 -2.496 8.019 2.640 1.00 0.00 O ATOM 730 CB LYS A 46 -3.546 6.398 5.204 1.00 0.00 C ATOM 731 CG LYS A 46 -4.157 7.793 5.069 1.00 0.00 C ATOM 732 CD LYS A 46 -3.195 8.831 5.648 1.00 0.00 C ATOM 733 CE LYS A 46 -3.691 10.238 5.305 1.00 0.00 C ATOM 734 NZ LYS A 46 -2.692 11.158 5.918 1.00 0.00 N ATOM 0 H LYS A 46 -1.896 4.669 5.238 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.591 5.764 3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.320 5.673 5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.821 6.385 6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.358 8.013 4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.112 7.835 5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.124 8.713 6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.194 8.679 5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.752 10.383 4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.689 10.414 5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.112 12.103 6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.410 10.793 6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.856 11.222 5.303 1.00 0.00 H new ATOM 748 N SER A 47 -0.760 7.196 3.705 1.00 0.00 N ATOM 749 CA SER A 47 0.117 8.301 3.216 1.00 0.00 C ATOM 750 C SER A 47 1.448 7.744 2.709 1.00 0.00 C ATOM 751 O SER A 47 1.854 6.655 3.062 1.00 0.00 O ATOM 752 CB SER A 47 0.347 9.195 4.434 1.00 0.00 C ATOM 753 OG SER A 47 1.075 8.469 5.417 1.00 0.00 O ATOM 0 H SER A 47 -0.302 6.509 4.304 1.00 0.00 H new ATOM 0 HA SER A 47 -0.336 8.844 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.897 10.090 4.144 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.608 9.526 4.842 1.00 0.00 H new ATOM 0 HG SER A 47 1.226 9.039 6.199 1.00 0.00 H new ATOM 759 N ALA A 48 2.132 8.491 1.886 1.00 0.00 N ATOM 760 CA ALA A 48 3.441 8.013 1.357 1.00 0.00 C ATOM 761 C ALA A 48 4.473 7.975 2.486 1.00 0.00 C ATOM 762 O ALA A 48 5.462 7.271 2.415 1.00 0.00 O ATOM 763 CB ALA A 48 3.840 9.044 0.302 1.00 0.00 C ATOM 0 H ALA A 48 1.841 9.412 1.557 1.00 0.00 H new ATOM 0 HA ALA A 48 3.382 7.008 0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.797 8.763 -0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.079 9.080 -0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.928 10.026 0.768 1.00 0.00 H new ATOM 769 N GLU A 49 4.250 8.730 3.527 1.00 0.00 N ATOM 770 CA GLU A 49 5.214 8.743 4.664 1.00 0.00 C ATOM 771 C GLU A 49 5.086 7.456 5.481 1.00 0.00 C ATOM 772 O GLU A 49 6.036 6.996 6.081 1.00 0.00 O ATOM 773 CB GLU A 49 4.815 9.958 5.504 1.00 0.00 C ATOM 774 CG GLU A 49 5.648 11.167 5.073 1.00 0.00 C ATOM 775 CD GLU A 49 4.795 12.093 4.203 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.950 12.780 4.756 1.00 0.00 O ATOM 777 OE2 GLU A 49 4.999 12.099 3.001 1.00 0.00 O ATOM 0 H GLU A 49 3.440 9.340 3.639 1.00 0.00 H new ATOM 0 HA GLU A 49 6.250 8.801 4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.753 10.170 5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.974 9.751 6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.008 11.705 5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.527 10.837 4.518 1.00 0.00 H new ATOM 784 N ASP A 50 3.923 6.866 5.500 1.00 0.00 N ATOM 785 CA ASP A 50 3.741 5.604 6.272 1.00 0.00 C ATOM 786 C ASP A 50 4.309 4.435 5.469 1.00 0.00 C ATOM 787 O ASP A 50 4.828 3.481 6.015 1.00 0.00 O ATOM 788 CB ASP A 50 2.229 5.457 6.448 1.00 0.00 C ATOM 789 CG ASP A 50 1.926 4.167 7.212 1.00 0.00 C ATOM 790 OD1 ASP A 50 2.865 3.531 7.659 1.00 0.00 O ATOM 791 OD2 ASP A 50 0.756 3.839 7.338 1.00 0.00 O ATOM 0 H ASP A 50 3.091 7.202 5.015 1.00 0.00 H new ATOM 0 HA ASP A 50 4.254 5.619 7.234 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.830 6.315 6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.739 5.439 5.474 1.00 0.00 H new ATOM 796 N CYS A 51 4.226 4.513 4.170 1.00 0.00 N ATOM 797 CA CYS A 51 4.770 3.422 3.316 1.00 0.00 C ATOM 798 C CYS A 51 6.298 3.505 3.293 1.00 0.00 C ATOM 799 O CYS A 51 6.990 2.513 3.408 1.00 0.00 O ATOM 800 CB CYS A 51 4.200 3.688 1.922 1.00 0.00 C ATOM 801 SG CYS A 51 4.945 2.540 0.737 1.00 0.00 S ATOM 0 H CYS A 51 3.803 5.289 3.662 1.00 0.00 H new ATOM 0 HA CYS A 51 4.501 2.430 3.680 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.117 3.566 1.931 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.403 4.717 1.625 1.00 0.00 H new ATOM 806 N MET A 52 6.826 4.691 3.145 1.00 0.00 N ATOM 807 CA MET A 52 8.309 4.854 3.112 1.00 0.00 C ATOM 808 C MET A 52 8.908 4.532 4.483 1.00 0.00 C ATOM 809 O MET A 52 9.852 3.776 4.596 1.00 0.00 O ATOM 810 CB MET A 52 8.536 6.325 2.761 1.00 0.00 C ATOM 811 CG MET A 52 9.886 6.482 2.058 1.00 0.00 C ATOM 812 SD MET A 52 9.617 6.994 0.344 1.00 0.00 S ATOM 813 CE MET A 52 9.493 5.337 -0.371 1.00 0.00 C ATOM 0 H MET A 52 6.293 5.555 3.045 1.00 0.00 H new ATOM 0 HA MET A 52 8.782 4.184 2.394 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.734 6.683 2.115 1.00 0.00 H new ATOM 0 HB3 MET A 52 8.513 6.933 3.665 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.495 7.221 2.578 1.00 0.00 H new ATOM 0 HG3 MET A 52 10.434 5.540 2.086 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.794 5.353 -1.207 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.474 5.019 -0.724 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.137 4.639 0.387 1.00 0.00 H new ATOM 823 N ARG A 53 8.365 5.091 5.529 1.00 0.00 N ATOM 824 CA ARG A 53 8.907 4.806 6.887 1.00 0.00 C ATOM 825 C ARG A 53 8.702 3.327 7.225 1.00 0.00 C ATOM 826 O ARG A 53 9.247 2.813 8.180 1.00 0.00 O ATOM 827 CB ARG A 53 8.100 5.697 7.833 1.00 0.00 C ATOM 828 CG ARG A 53 6.695 5.121 8.008 1.00 0.00 C ATOM 829 CD ARG A 53 6.556 4.537 9.416 1.00 0.00 C ATOM 830 NE ARG A 53 5.644 5.471 10.130 1.00 0.00 N ATOM 831 CZ ARG A 53 4.467 5.063 10.513 1.00 0.00 C ATOM 832 NH1 ARG A 53 4.361 4.183 11.469 1.00 0.00 N ATOM 833 NH2 ARG A 53 3.394 5.534 9.937 1.00 0.00 N ATOM 0 H ARG A 53 7.571 5.731 5.502 1.00 0.00 H new ATOM 0 HA ARG A 53 9.976 5.006 6.962 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.599 5.764 8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.042 6.709 7.433 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.949 5.900 7.850 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.512 4.348 7.262 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.144 3.528 9.386 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.523 4.472 9.914 1.00 0.00 H new ATOM 0 HE ARG A 53 5.939 6.429 10.319 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.199 3.814 11.917 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.440 3.864 11.769 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.477 6.221 9.188 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.473 5.215 10.236 1.00 0.00 H new ATOM 847 N THR A 54 7.914 2.639 6.442 1.00 0.00 N ATOM 848 CA THR A 54 7.665 1.192 6.709 1.00 0.00 C ATOM 849 C THR A 54 8.411 0.330 5.685 1.00 0.00 C ATOM 850 O THR A 54 8.940 -0.717 6.006 1.00 0.00 O ATOM 851 CB THR A 54 6.148 1.024 6.557 1.00 0.00 C ATOM 852 OG1 THR A 54 5.506 1.440 7.752 1.00 0.00 O ATOM 853 CG2 THR A 54 5.811 -0.444 6.281 1.00 0.00 C ATOM 0 H THR A 54 7.431 3.018 5.627 1.00 0.00 H new ATOM 0 HA THR A 54 8.014 0.882 7.694 1.00 0.00 H new ATOM 0 HB THR A 54 5.801 1.634 5.723 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.042 2.289 7.596 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.732 -0.556 6.174 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.302 -0.763 5.362 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.159 -1.059 7.111 1.00 0.00 H new ATOM 861 N CYS A 55 8.448 0.755 4.452 1.00 0.00 N ATOM 862 CA CYS A 55 9.149 -0.047 3.410 1.00 0.00 C ATOM 863 C CYS A 55 10.451 0.640 2.991 1.00 0.00 C ATOM 864 O CYS A 55 11.189 0.142 2.164 1.00 0.00 O ATOM 865 CB CYS A 55 8.167 -0.101 2.241 1.00 0.00 C ATOM 866 SG CYS A 55 6.583 -0.754 2.825 1.00 0.00 S ATOM 0 H CYS A 55 8.024 1.622 4.121 1.00 0.00 H new ATOM 0 HA CYS A 55 9.423 -1.041 3.765 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.030 0.895 1.819 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.564 -0.733 1.446 1.00 0.00 H new